N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide

C13H24ClNO — CID 106287186

IUPACN-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)C1CC1(C)C
InChIInChI=1S/C13H24ClNO/c1-5-9(6-2)11(14)8-15-12(16)10-7-13(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyZHSSHOQEUMFGFJ-UHFFFAOYSA-N
MW245.79 g/mol
LogP3.19
Rot. Bonds6

About N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide

N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 106287186) has the molecular formula C13H24ClNO and a molecular weight of 245.79 g/mol. Its IUPAC name is N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID106287186
Molecular FormulaC13H24ClNO
Molecular Weight245.79 g/mol
Exact Mass245.15
IUPAC NameN-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
SMILESCCC(CC)C(Cl)CNC(=O)C1CC1(C)C
InChIInChI=1S/C13H24ClNO/c1-5-9(6-2)11(14)8-15-12(16)10-7-13(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16)
InChIKeyZHSSHOQEUMFGFJ-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-hydroxy-4-methylpentyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838537
N-(2-hydroxy-3-methylbutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103838536
N-[[1-(chloromethyl)cyclopropyl]methyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003299
N-(2-ethyl-4-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180430
N-(2-chloro-4-methylpentyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107184547
N-(2-fluoroethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130635135
(1S)-N-(cyclobutylmethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130626986
N-(2-chloro-3-ethylpentyl)-3-cyclohexylpropanamide
CID 114168705
(2S,3S)-2-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylpentanoic acid
CID 106703216
N-(4-cyanobutyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 103837485
3-[(2,2-dimethylcyclopropanecarbonyl)amino]-2,2-dimethylpropanoic acid
CID 106703571
(1S)-N-(2-cyanoethyl)-2,2-dimethylcyclopropane-1-carboxamide
CID 130628725

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide (CID 106287186) is N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide is CCC(CC)C(Cl)CNC(=O)C1CC1(C)C.
What is the InChIKey of N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is ZHSSHOQEUMFGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClNO/c1-5-9(6-2)11(14)8-15-12(16)10-7-13(10,3)4/h9-11H,5-8H2,1-4H3,(H,15,16).
What are the key properties of N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide?
N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 245.79 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-ethylpentyl)-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 106287186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).